LIPID MAPS

Structure Database (LMSD)

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Common Name

20-epi-20-F3t-NeuroP-DPAn-3

Systematic Name

12-((1S,2R,3R,5S)-3,5-dihydroxy-3R-hydroxy-1E-penten-1-yl)cyclopentyl)-dodeca-7Z,10Z-dienoic acid

Synonyms

LM ID

LMFA04010526

Formula

C₂₂H₃₆O₅

Exact Mass

Calculate m/z

380.256276

Sum Composition

FA 22:4;O3

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View spectra on LIPID MAPS Standard Spectra DB

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

synthetic construct (#32630)

Oxylipin standard

String Representations

InChiKey (Click to copy)

OGWNLPPYWRCLEL-UTVGKDMWSA-N

InChi (Click to copy)

InChI=1S/C22H36O5/c1-2-17(23)14-15-19-18(20(24)16-21(19)25)12-10-8-6-4-3-5-7-9-11-13-22(26)27/h3-4,8,10,14-15,17-21,23-25H,2,5-7,9,11-13,16H2,1H3,(H,26,27)/b4-3-,10-8-,15-14+/t17-,18+,19-,20+,21-/m1/s1

SMILES (Click to copy)

C(/[C@H]1[C@H](O)C[C@H](O)[C@H]1C/C=C\C/C=C\CCCCCC(=O)O)=C\[C@H](O)CC

Calculated Physicochemical Properties

Heavy Atoms 27

Rings 1

Aromatic Rings

Rotatable Bonds 13

Van der Waals Molecular Volume 410.19

Topological Polar Surface Area 97.99

Hydrogen Bond Donors 4

Hydrogen Bond Acceptors 5

logP 4.46

Molar Refractivity 108.82

Admin

Created at

14th May 2025

Updated at